BA2M7D -OEChem-04042101533D 36 38 0 0 0 0 0 0 0999 V2000 -2.6415 -1.1754 -0.0914 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1319 -1.4416 -1.4234 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6712 -2.0228 0.4798 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6176 -3.5721 -0.0597 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3504 -1.0360 0.9947 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5369 -2.8450 -0.4733 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2775 2.3447 0.0694 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0673 -1.3357 0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2069 -0.6244 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2586 0.4820 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8578 -0.3706 0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2331 -2.6877 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2679 0.4017 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4848 -1.8487 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7631 1.4147 -0.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2379 0.8575 0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9391 1.7466 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6002 0.0271 0.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2469 2.7231 -0.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7218 2.1656 0.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2262 3.0985 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9717 2.6705 -0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5585 1.0279 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -0.1861 1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6255 0.6071 0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 -2.1484 -0.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8169 -3.7429 -0.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9945 1.1457 -1.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 0.1493 1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9201 2.0958 -0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9226 -0.9999 0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8596 3.4500 -1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4829 2.4587 1.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6022 4.1174 -0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7689 3.7316 -0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6114 0.7893 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 4 12 2 0 0 0 0 5 8 1 0 0 0 0 5 24 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 27 1 0 0 0 0 7 22 2 0 0 0 0 7 23 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 25 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 26 1 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 16 20 2 0 0 0 0 16 29 1 0 0 0 0 17 22 1 0 0 0 0 17 30 1 0 0 0 0 18 23 2 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$